Accuracy

Pr_(MIPTEK) r   6557 Praseodymium complex, CCDC: MIPTEK (Geo)

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    #  Species Formula
  6547 Cerium complex, CCDC: VACMUI (Geo)C50H74B4N20O2Ce2
  6548 Cerium complex, CCDC: KIPLEA (Geo)C54H114O6Ce2
  6549 Cerium complex, CCDC: SOZLUO (Geo)C60H126O6Ce2
  6550 Cerium complex, CCDC: XEXCUY (Geo)C56H48N6O14Ce2
  6551 Cerium complex, CCDC: CUMCIW (Geo)C16H28O18Ce2
  6552 Cerium complex, CCDC: BABZIN (Geo)C42H34O20Cl12Ce2
  6553 Praseodymium complex, CCDC: GIWWEO (Geo)C18H27N9Pr
  6554 Praseodymium complex, CCDC: NPYPRP10 (Geo)C48H36N12Pr
  6555 Praseodymium complex, CCDC: KOBRUO (Geo)C64H32N16Pr
  6556 Praseodymium complex, CCDC: RUGNOW (Geo)C27H30B3N18Pr
  6557 Praseodymium complex, CCDC: MIPTEK (Geo) C27H27N4O3Pr
  6558 Praseodymium complex, CCDC: POGWIR (Geo)C44H67O5Pr
  6559 Praseodymium complex, CCDC: YOTYUB (Geo)C45H82N9O5Pr
  6560 Praseodymium complex, CCDC: PELGOC (Geo)C27H29N2O6Pr
  6561 Praseodymium complex, CCDC: VELRUZ (Geo)C16H38N2O7Pr
  6562 Praseodymium complex, CCDC: ZULRED (Geo)C34H34N5O7Pr
  6563 Praseodymium complex, CCDC: KAWBIT (Geo)C31H30N8O7Pr
  6564 Praseodymium complex, CCDC: CAZGUF (Geo)C15H25O8Pr
  6565 Praseodymium complex, CCDC: BUVWIY01 (Geo)H18O9Pr
  6566 Praseodymium complex, CCDC: BAFYOX (Geo)C20H20N5O9Pr
  6567 Praseodymium complex, CCDC: KAHGEF (Geo)C16H18N7O9Pr


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES
Praseodymium complex, CCDC: MIPTEK
 <Pr-N2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-N6> <> <> <Pr-N7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.81490000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.28150062 +1  119.6395391 +1    0.0000000 +0     1     2     0
  O     2.28189959 +1  123.5370800 +1 -124.3254776 +1     1     2     3
  O     2.28260042 +1  103.0637586 +1  111.4434704 +1     1     2     3
  N     2.57630002 +1   65.7450957 +1  -42.7617526 +1     1     2     3
  N     2.57699021 +1   66.1215142 +1 -161.6062762 +1     1     2     3
  N     3.23392887 +1   59.4494536 +1   74.3182728 +1     1     2     3
  C     1.50635638 +1  109.1380660 +1   37.3708022 +1     2     1     3
  C     1.47759976 +1  112.8689026 +1  -28.3967223 +1     6     1     2
  C     1.32014554 +1  132.2561967 +1  148.9158630 +1     6     1     2
  C     1.42911911 +1  125.7067001 +1   -2.7365766 +1    11     6     1
  C     1.41734999 +1  119.0150172 +1  175.7282940 +1    12    11     6
  C     1.37187480 +1  121.5151420 +1  177.6927175 +1    13    12    11
  C     1.41958068 +1  120.0630388 +1   -0.2791775 +1    14    13    12
  C     1.36609179 +1  120.8119944 +1    0.5233196 +1    15    14    13
  C     1.26926866 +1  149.3587062 +1  -58.7632022 +1     3     1     2
  C     1.45328259 +1  106.5568039 +1  -23.5747424 +1     8     1     2
  C     1.51236673 +1  118.3429311 +1  -85.4493518 +1     2     1     3
  C     1.51063929 +1  108.1546815 +1  154.1632008 +1     2     1     3
  C     1.47840692 +1  112.1805245 +1  -27.3216039 +1     7     1     2
  C     1.27936425 +1  160.8673141 +1  -80.0157516 +1     5     1     2
  C     1.42011766 +1  122.1921197 +1   46.5591357 +1    22     5     1
  C     1.29359124 +1  127.9166308 +1  133.7175927 +1     8     1     2
  C     1.40691104 +1  118.3291239 +1  179.9048721 +1    23    22     5
  C     1.37967038 +1  121.5909459 +1   -0.1938338 +1    25    23    22
  C     1.40996829 +1  119.7482375 +1   -0.2877891 +1    26    25    23
  C     1.37220442 +1  120.7154076 +1    0.2841126 +1    27    26    25
  C     1.27081767 +1  150.2955198 +1  -47.0559265 +1     4     1     2
  C     1.42307075 +1  120.0487174 +1    8.4307967 +1    29     4     1
  C     1.31837266 +1  132.8488536 +1  153.1303404 +1     7     1     2
  C     1.41654142 +1  117.8128742 +1 -179.1292329 +1    30    29     4
  C     1.37263183 +1  121.4949396 +1   -0.5590416 +1    32    30    29
  C     1.41867776 +1  120.0524891 +1   -0.0054576 +1    33    32    30
  C     1.36705011 +1  120.8041911 +1    0.2727979 +1    34    33    32
  H     1.11416373 +1  108.6470380 +1  -82.3499001 +1     9     2     1
  H     1.10714468 +1  112.3320603 +1  160.0331249 +1     9     2     1
  H     1.11306776 +1  108.4774364 +1  -61.2025610 +1    10     6     1
  H     1.10995948 +1  114.1925819 +1 -178.6538110 +1    10     6     1
  H     1.11025876 +1  119.9102985 +1  178.1775287 +1    11     6     1
  H     1.09084224 +1  118.6819121 +1   -2.4715905 +1    13    12    11
  H     1.08498761 +1  120.9642137 +1  179.7553394 +1    14    13    12
  H     1.09118266 +1  118.4948387 +1 -179.5483351 +1    15    14    13
  H     1.08635858 +1  122.9362848 +1 -179.9805981 +1    16    15    14
  H     1.11234415 +1  109.6271008 +1  -79.7321158 +1    20     2     1
  H     1.10731243 +1  112.4422124 +1  162.6289058 +1    20     2     1
  H     1.10479318 +1  123.1178813 +1 -162.1695311 +1    24     8     1
  H     1.09065431 +1  118.9124080 +1  179.4824781 +1    25    23    22
  H     1.08389281 +1  120.7206308 +1  179.6983371 +1    26    25    23
  H     1.09015034 +1  118.9177469 +1 -179.7727041 +1    27    26    25
  H     1.08442666 +1  122.2953095 +1 -179.9515180 +1    28    27    26
  H     1.11010686 +1  120.0796264 +1  176.9701561 +1    31     7     1
  H     1.09089035 +1  118.7333001 +1  179.3089544 +1    32    30    29
  H     1.08506087 +1  120.9322565 +1  179.8789060 +1    33    32    30
  H     1.09117638 +1  118.5441599 +1 -179.8574337 +1    34    33    32
  H     1.08619136 +1  122.8842186 +1  179.8823307 +1    35    34    33
  H     1.11529366 +1  108.2958599 +1  -60.5197694 +1    21     7     1
  H     1.10925614 +1  114.2478199 +1 -178.0686999 +1    21     7     1
  H     1.11464810 +1  107.9530867 +1  -73.4455379 +1    19     2     1
  H     1.10848940 +1  111.2938110 +1  169.6897861 +1    19     2     1
  H     1.11381591 +1  107.7615401 +1  -67.1222636 +1    18     8     1
  H     1.11025314 +1  115.1984958 +1  174.4259172 +1    18     8     1